Research workbench
Crystal structure of a halotag-based calcium indicator, halocamp V2, bound to JF635
Analyse Crystal structure of a halotag-based calcium indicator, halocamp V2, bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6U2M
- Type
- protein
- Length
- 928 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Halocamp V2
- Ligands
- PUJ, CA, CL
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Halocamp V2 | protein | 464 | 47% helix, 14% strand | — |
Ligands and binding sites
- PUJ · (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy) ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium · ligand · 2 copies · chains A, C
- CA · Calcium ion · metal · 8 copies · chains A, C
- CL · Chloride ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.71 | 0.79 | 59 | empty |
| 2 | 447 | 0.69 | 0.80 | 49 | CL |
| 3 | 416 | 0.66 | 0.79 | 50 | CL |
Interfaces
1 interface between chains.
- A–C · 682 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6U2M · Crystal structure of a HaloTag-based calcium indicator, HaloCaMP V2, bound to JF635 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6U2M · PDBe 6U2M
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